From 970044ebddaef3724592e17356ba324b4a756b30 Mon Sep 17 00:00:00 2001 From: jrudz Date: Tue, 7 Nov 2023 09:23:21 +0100 Subject: [PATCH] fixed bug with n_interactions in parse_interactions --- atomisticparsers/utils/parsers.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/atomisticparsers/utils/parsers.py b/atomisticparsers/utils/parsers.py index cf8e6c9e..ec000e55 100644 --- a/atomisticparsers/utils/parsers.py +++ b/atomisticparsers/utils/parsers.py @@ -215,7 +215,7 @@ def parse_interactions(self, interactions: List[Dict], sec_model: MSection) -> N sec_interaction = sec_model.m_create(Interaction) interaction_indices = np.where(interaction_dict['type'] == interaction_type)[0] sec_interaction.type = interaction_type - sec_interaction.n_inter = len(interaction_indices) + sec_interaction.n_interactions = len(interaction_indices) sec_interaction.n_atoms for key, val in interaction_dict.items(): if key == 'type':